ChemSpider 2D Image | N-(9H-beta-Carbolin-1-ylmethyl)-N'-(cyclopropylmethyl)-N-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-butanediamine | C29H35N5

N-(9H-β-Carbolin-1-ylmethyl)-N'-(cyclopropylmethyl)-N-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-butanediamine

  • Molecular FormulaC29H35N5
  • Average mass453.622 Da
  • Monoisotopic mass453.289246 Da
  • ChemSpider ID76736405

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,4-Butanediamine, N4-(cyclopropylmethyl)-N1-(9H-pyrido[3,4-b]indol-1-ylmethyl)-N1-(5,6,7,8-tetrahydro-8-quinolinyl)- [ACD/Index Name]
N-(9H-β-Carbolin-1-ylmethyl)-N'-(cyclopropylmethyl)-N-(5,6,7,8-tetrahydro-8-chinolinyl)-1,4-butandiamin [German] [ACD/IUPAC Name]
N-(9H-β-Carbolin-1-ylméthyl)-N'-(cyclopropylméthyl)-N-(5,6,7,8-tétrahydro-8-quinoléinyl)-1,4-butanediamine [French] [ACD/IUPAC Name]
N-(9H-β-Carbolin-1-ylmethyl)-N'-(cyclopropylmethyl)-N-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-butanediamine [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 672.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.5±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 57 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 370.6±5.0 cm3

Click to predict properties on the Chemicalize site


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